P117-0835 Screening compound: 2-[6-(azepan-1-yl)-1H-pyrrolo[2,3-b]pyridin-1-yl]-N-benzylacetamide

P117-0835 Screening compound: 2-[6-(azepan-1-yl)-1H-pyrrolo[2,3-b]pyridin-1-yl]-N-benzylacetamide
P117-0835 Screening compound: 2-[6-(azepan-1-yl)-1H-pyrrolo[2,3-b]pyridin-1-yl]-N-benzylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P117-0835
2-[6-(azepan-1-yl)-1H-pyrrolo[2,3-b]pyridin-1-yl]-N-benzylacetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

P117-0835

Molecular Formula

C22H26N4O (C22 H26 N4 O)

Compound Name

2-[6-(azepan-1-yl)-1H-pyrrolo[2,3-b]pyridin-1-yl]-N-benzylacetamide

IUPAC name

2-[6-(azepan-1-yl)-1H-pyrrolo[23-b]pyridin-1-yl]-N-benzylacetamide

SMILES

O=C(Cn1c2nc(N3CCCCCC3)ccc2cc1)NCc1ccccc1

InChI

InChI=1S/C22H26N4O/c27-21(23-16-18-8-4-3-5-9-18)17-26-15-12-19-10-11-20(24-22(19)26)25-13-6-1-2-7-14-25/h3-5,8-12,15H,1-2,6-7,13-14,16-17H2,(H,23,27)

InChI Key

CWJGVZDJMWNLBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27565634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.462

Distribution Coefficient, logD

4.449

Water Solubility, LogSw

-4.38

Polar Surface Area

39.271

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

5.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

P117-0835 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

STING Agonist Library (5895 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with P117-0835 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P117-0835?
Check Price and Availability of P117-0835, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P117-0835 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P117-0835
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P117-0835
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of P117-0835 available by request